Cas no 87555-72-4 ([1,1'-Biphenyl]-3-carboxylic acid, 2,4-dimethyl-, ethyl ester)

[1,1'-Biphenyl]-3-carboxylic acid, 2,4-dimethyl-, ethyl ester structure
87555-72-4 structure
Product Name:[1,1'-Biphenyl]-3-carboxylic acid, 2,4-dimethyl-, ethyl ester
CAS No:87555-72-4
MF:C17H18O2
MW:254.323625087738
CID:655186
PubChem ID:13126289
Update Time:2025-04-19

[1,1'-Biphenyl]-3-carboxylic acid, 2,4-dimethyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-3-carboxylic acid, 2,4-dimethyl-, ethyl ester
    • ethyl 2,6-dimethyl-3-phenylbenzoate
    • ethyl 2,4-dimethyl-[1,1'-biphenyl]-3-carboxylate
    • DTXSID50520001
    • Ethyl 2,4-dimethyl[1,1'-biphenyl]-3-carboxylate
    • SCHEMBL11051695
    • KBVAJXSKWALJAI-UHFFFAOYSA-N
    • 87555-72-4
    • Inchi: 1S/C17H18O2/c1-4-19-17(18)16-12(2)10-11-15(13(16)3)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3
    • InChI Key: KBVAJXSKWALJAI-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=C(C)C=CC(C2C=CC=CC=2)=C1C)=O

Computed Properties

  • Exact Mass: 254.130679813g/mol
  • Monoisotopic Mass: 254.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 294
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.5
  • Topological Polar Surface Area: 26.3?2
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